(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide

C20H17NO2 — CID 8928142

IUPAC(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H17NO2/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h1-15,20H,(H,21,22)/b14-13+/t20-/m1/s1
InChIKeySBUKTKHYILPTJI-FBRRREGBSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds5

About (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide

(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 8928142) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
PubChem CID8928142
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H17NO2/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h1-15,20H,(H,21,22)/b14-13+/t20-/m1/s1
InChIKeySBUKTKHYILPTJI-FBRRREGBSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 134029277
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
CID 134029408
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
[furan-2-yl(phenyl)methyl]urea
CID 14906081
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
CID 59752804
(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
CID 7930993
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide (CID 8928142) is (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)c1ccco1.
What is the InChIKey of (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is SBUKTKHYILPTJI-FBRRREGBSA-N. The full InChI is InChI=1S/C20H17NO2/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h1-15,20H,(H,21,22)/b14-13+/t20-/m1/s1.
What are the key properties of (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 8928142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).